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HRID1397115

反应详情

EQUATION

反应方程式

HRID 1397115 的结构方程式

REACTANTS

反应物

3
结构：O=C([O-])O.[Na+]
HCID516892

Sodium Bicarbonate

CHNaO3

结构：O=C([O-])ON1C(=O)CCC1=O
HCID22239412

未命名化合物

结构：CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O[C@H]3C[C@](C)(N)[C@@H](O)[C@H](C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(NCc3ccc(-c4ccc(Cl)cc4)cc3)[C@@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O.O=P(O)(O)O
HCID70691404

未命名化合物

PRODUCTS

生成物

1
结构：CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O[C@H]3C[C@](C)(N)[C@@H](O)[C@H](C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(NCc3ccc(-c4ccc(Cl)cc4)cc3)[C@@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O
HCID16136912

Oritavancin

C86H97Cl3N10O26

AUXILIARIES

试剂、催化剂与溶剂

2
结构：O
溶剂HCID962

Water

H2O

结构：C1COCCO1
溶剂HCID31275

1,4-Dioxane

C4H8O2

2 次

PROCEDURE

实验过程

To oritavancin bisphosphoric acid salt (5, 180 mg, 0.0905 mmol) in 1,4-dioxane (2 mL) and H2O (2 mL) was added NaHCO3 (25 mg, 0.29 mmol) and the mixture was stirred until all of 5 had dissolved. A solution of 34 (135 mg, 0.164 mmol) in 1,4-dioxane (3 mL) was added and the resulting solution was stirred at room temperature overnight. The product was precipitated by the addition of H2O and collected by filtration. The crude product was purified by C18 reversed phase chromatography on a Biotage™ flash chromatography system (30% to 80% MeCN in 0.2% TEA/phosphate pH 3) to give 37 (135 mg, 55%, based on the di-phosphoric acid salt) as a white solid: ESI-MS (M+2H) calculated for C120H157Cl3N14O38 1256.0. found 1255.4

WORKUP

后处理

  1. dissolutionhad dissolved
  2. stirringthe resulting solution was stirred at room temperature overnight
  3. customThe product was precipitated by the addition of H2O
  4. filtrationcollected by filtration
  5. customThe crude product was purified by C18 reversed phase chromatography on a Biotage™ flash chromatography system (30% to 80% MeCN in 0.2% TEA/phosphate pH 3)